Materials Data on BeTcSe by Materials Project

doi:10.17188/1279160

Title: Materials Data on BeTcSe by Materials Project

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Abstract

BeTcSe is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Be2+ is bonded in a body-centered cubic geometry to four equivalent Tc1- and four equivalent Se1- atoms. All Be–Tc bond lengths are 2.40 Å. All Be–Se bond lengths are 2.40 Å. Tc1- is bonded in a 10-coordinate geometry to four equivalent Be2+ and six equivalent Se1- atoms. All Tc–Se bond lengths are 2.77 Å. Se1- is bonded to four equivalent Be2+ and six equivalent Tc1- atoms to form a mixture of distorted face and corner-sharing SeBe4Tc6 tetrahedra.

Authors:: The Materials Project

Publication Date:: Sat Jul 18 00:00:00 EDT 2020

Other Number(s):: mp-631462

DOE Contract Number:: AC02-05CH11231; EDCBEE

Research Org.:: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Collaborations:: MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE

Keywords:: crystal structure; BeTcSe; Be-Se-Tc

OSTI Identifier:: 1279160

DOI:: https://doi.org/10.17188/1279160

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                    The Materials Project. Materials Data on BeTcSe by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1279160.

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                    The Materials Project. Materials Data on BeTcSe by Materials Project.  United States.  doi:https://doi.org/10.17188/1279160

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                    The Materials Project. 2020.  
"Materials Data on BeTcSe by Materials Project".  United States.  doi:https://doi.org/10.17188/1279160.  https://www.osti.gov/servlets/purl/1279160. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1279160,

  title        = {Materials Data on BeTcSe by Materials Project},

  author       = {The Materials Project},

  abstractNote = {BeTcSe is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Be2+ is bonded in a body-centered cubic geometry to four equivalent Tc1- and four equivalent Se1- atoms. All Be–Tc bond lengths are 2.40 Å. All Be–Se bond lengths are 2.40 Å. Tc1- is bonded in a 10-coordinate geometry to four equivalent Be2+ and six equivalent Se1- atoms. All Tc–Se bond lengths are 2.77 Å. Se1- is bonded to four equivalent Be2+ and six equivalent Tc1- atoms to form a mixture of distorted face and corner-sharing SeBe4Tc6 tetrahedra.},

  doi          = {10.17188/1279160},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jul 18 00:00:00 EDT 2020},

  month        = {Sat Jul 18 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1279160

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